Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL7131786 | 0.86 | TSHR (0.62) | TSHRCYP2C19CYP1A2ALDH1A1TDP1 | |
| SCHEMBL15686510 | 0.84 | TSHR (0.57) | TSHRCYP2C19CYP1A2ALDH1A1KDM4E | |
| SCHEMBL2651384 | 0.82 | TSHR (0.54) | TSHRCYP2C19CYP1A2ALDH1A1KDM4E | |
| SCHEMBL14784536 | 0.81 | TSHR (0.57) | TSHRCYP2C19CYP1A2ALDH1A1CYP3A4 | |
| SCHEMBL1818344 | 0.81 | TSHR (0.53) | TSHRCYP2C19CYP1A2ALDH1A1KDM4E | |
| SCHEMBL4430589 | 0.80 | TSHR (0.56) | TSHRCYP2C19CYP1A2ALDH1A1CYP3A4 | |
| SCHEMBL1016551 | 0.80 | TSHR (0.59) | TSHRCYP2C19CYP1A2ALDH1A1KDM4E | |
| SCHEMBL4424906 | 0.78 | CYP2C19 (0.50) | TSHRCYP2C19CYP1A2ALDH1A1KDM4E | |
| SCHEMBL1937393 | 0.78 | TSHR (0.50) | TSHRCYP2C19CYP1A2ALDH1A1KDM4E | |
| SCHEMBL496751 | 0.78 | TSHR (0.61) | TSHRCYP2C19CYP1A2ALDH1A1TDP1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010034740-A1 | (R)-3-(N,N-DIMETHYLAMINO)PYRROLIDINE DERIVATIVES | PALAU PHARMA, S.A. (ES) | 2010-04-01 | — | — | WO | disclosed |